SCHEMBL4180163

SCHEMBL4180163

CN1C(=O)c2ccccc2C12CCN(C(=O)Nc1ccc(C(=O)c3ccccc3)cc1)CC2

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 5/20 0.55
HRH3 Q9Y5N1 1/20 0.49
ALDH1A1 P00352 2/20 0.46
CYP3A4 P08684 3/20 0.45
TSHR P16473 2/20 0.45
CYP2C19 P33261 2/20 0.45
KDM4E B2RXH2 1/20 0.43
GOT1 P17174 1/20 0.43
CYP1A2 P05177 2/20 0.43
CYP2D6 P10635 1/20 0.43
USP2 O75604 2/20 0.43
CYP2C9 P11712 1/20 0.42
NAMPT P43490 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4367104 0.80 HRH3 (0.60) NPY5RHRH3ALDH1A1
SCHEMBL4367103 0.80 HRH3 (0.60) NPY5RHRH3ALDH1A1
SCHEMBL5425030 0.79 NPY5R (0.69) NPY5R
SCHEMBL4590999 0.78 NPY5R (0.60) NPY5RHRH3ALDH1A1CYP3A4TSHR
SCHEMBL8843237 0.73 HRH3 (0.53) HRH3ALDH1A1KDM4E
SCHEMBL2659713 0.72 NPY5R (0.61) NPY5RALDH1A1NAMPT
SCHEMBL4175442 0.72 NPY5R (0.61) NPY5RHRH3CYP3A4TSHRCYP2C19
SCHEMBL30372076 0.72 HRH3 (0.51) HRH3ALDH1A1KDM4E
SCHEMBL4360931 0.71 HRH3 (0.53) HRH3TSHRUSP2
SCHEMBL4360934 0.71 HRH3 (0.53) HRH3TSHRUSP2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060148721-A1 Combination therapy for the treatment of dyslipidemia MERCK SHARP & DOHME CORP. 2006-07-06 US claimed
US-20030220499-A1 Novel spiro compounds MSD K.K. (JP) 2003-11-27 US claimed
EP-1204663-B1 NOVEL SPIRO COMPOUNDS WITH NEUROPEPTIDE Y ANTAGONISTIC ACTIVITY BANYU PHARMA CO LTD (JP) 2003-10-29 EP claimed
US-20030055251-A1 Novel spiro compounds MSD K.K. (JP) 2003-03-20 US claimed
US-20020165391-A1 Neuropeptide Y receptor antagonists MSD K.K. (JP) 2002-11-07 US claimed
EP-1204663-A1 NOVEL SPIRO COMPOUNDS BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-05-15 EP claimed
US-20020052371-A1 NOVEL SPIRO COMPOUNDS MSD K.K. (JP) 2002-05-02 US claimed
US-6326375-B1 CONTAINING AN UREA GROUP BANYU PHARMACEUTICAL CO., LTD. (JP) 2001-12-04 US claimed
WO-2001014376-A1 NOVEL SPIRO COMPOUNDS BANYU PHARMACEUTICAL CO., LTD. (JP) 2001-03-01 WO claimed
EP-1635813-A4 COMBINATION THERAPY FOR THE TREATMENT OF DYSLIPIDEMIA MERCK & CO INC (US) 2009-07-01 EP disclosed
US-20070099884-A1 Combination therapy for the treatment of diabetes MERCK & CO., INC. 2007-05-03 US disclosed
US-20060160834-A1 Combination therapy for the treatment of hypertension MERCK & CO., INC. 2006-07-20 US disclosed
US-20060148721-A1 Combination therapy for the treatment of dyslipidemia MERCK SHARP & DOHME CORP. 2006-07-06 US disclosed
EP-1635773-A2 COMBINATION THERAPY FOR THE TREATMENT OF HYPERTENSION Merck & Co., Inc. (a New Jersey corp.) (US) 2006-03-22 EP disclosed
EP-1204663-A1 NOVEL SPIRO COMPOUNDS BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-05-15 EP disclosed
US-6388077-B1 CARDIOVASCULAR DISORDERS; CENTRAL NERVOUS SYSTEM DISORDERS BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-05-14 US disclosed
US-20020052371-A1 NOVEL SPIRO COMPOUNDS MSD K.K. (JP) 2002-05-02 US disclosed
US-6335345-B1 NEUROPEPTIDE Y RECEPTOR ANTAGONISTS; OBESITY AND BULIMIA TREATMENT; CENTRAL NERVOUS SYSTEM, PSYCHOLOGICAL, METABOLIC AND EATING DISORDERS; ANTIDIABETIC AGENTS BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-01-01 US disclosed
US-6326375-B1 CONTAINING AN UREA GROUP BANYU PHARMACEUTICAL CO., LTD. (JP) 2001-12-04 US disclosed
WO-2001014376-A1 NOVEL SPIRO COMPOUNDS BANYU PHARMACEUTICAL CO., LTD. (JP) 2001-03-01 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020052371-A1 NOVEL SPIRO COMPOUNDS GPR119, NPY1R, OPRK1 NPY5R 48/4885HRH3 360/4885ALDH1A1 1352/4885
US-20060148721-A1 Combination therapy for the treatment of dyslipidemia LIPC, LIPA, LPL NPY5R 814/4885HRH3 3479/4885ALDH1A1 1490/4885
US-20030055251-A1 Novel spiro compounds NPY1R, GPR119, OPRK1 NPY5R 34/4885HRH3 457/4885ALDH1A1 1220/4885
US-20070099884-A1 Combination therapy for the treatment of diabetes GPR119, FABP4, IAPP NPY5R 274/4885HRH3 2924/4885ALDH1A1 857/4885
US-20030220499-A1 Novel spiro compounds NPY1R, OPRK1, OPRM1 NPY5R 43/4885HRH3 545/4885ALDH1A1 1230/4885
US-20020165391-A1 Neuropeptide Y receptor antagonists NPY1R, NPY2R, NPY4R NPY5R 4/4885HRH3 170/4885ALDH1A1 3364/4885
US-20060160834-A1 Combination therapy for the treatment of hypertension FABP4, GPR119, HMGCR NPY5R 169/4885HRH3 816/4885ALDH1A1 1175/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.